1-(2-ethenoxyethoxy)butane

C8H16O2 — CID 20207

IUPAC1-(2-ethenoxyethoxy)butane
SMILESC=COCCOCCCC
InChIInChI=1S/C8H16O2/c1-3-5-6-10-8-7-9-4-2/h4H,2-3,5-8H2,1H3
InChIKeyUNMYKPSSIFZORM-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.96
Rot. Bonds7

About 1-(2-ethenoxyethoxy)butane

1-(2-ethenoxyethoxy)butane (PubChem CID 20207) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 1-(2-ethenoxyethoxy)butane.

Molecular Properties

Compound Name1-(2-ethenoxyethoxy)butane
PubChem CID20207
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name1-(2-ethenoxyethoxy)butane
SMILESC=COCCOCCCC
InChIInChI=1S/C8H16O2/c1-3-5-6-10-8-7-9-4-2/h4H,2-3,5-8H2,1H3
InChIKeyUNMYKPSSIFZORM-UHFFFAOYSA-N
XLogP1.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenoxyethoxy)butane?
The IUPAC name of 1-(2-ethenoxyethoxy)butane (CID 20207) is 1-(2-ethenoxyethoxy)butane.
What is the SMILES notation for 1-(2-ethenoxyethoxy)butane?
The canonical SMILES for 1-(2-ethenoxyethoxy)butane is C=COCCOCCCC.
What is the InChIKey of 1-(2-ethenoxyethoxy)butane?
The InChIKey is UNMYKPSSIFZORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-5-6-10-8-7-9-4-2/h4H,2-3,5-8H2,1H3.
What are the key properties of 1-(2-ethenoxyethoxy)butane?
1-(2-ethenoxyethoxy)butane has a molecular weight of 144.21 g/mol, XLogP of 1.96, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenoxyethoxy)butane is sourced from PubChem (CID 20207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).